10967/121 - QDB Compounds

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Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.

Compound

ID:PBDF-005
Name:1,2-Dibromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H6Br2O/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.01552986803698

Eq.2: GA-PLS model (Test set)

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